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2-[2-(2-carbethoxy-3-ethoxy-3-keto-propyl)benzyl]malonic acid diethyl ester
SpectraBase Compound ID HlDmSAv1CTh
InChI InChI=1S/C22H30O8/c1-5-27-19(23)17(20(24)28-6-2)13-15-11-9-10-12-16(15)14-18(21(25)29-7-3)22(26)30-8-4/h9-12,17-18H,5-8,13-14H2,1-4H3
InChIKey YLJZSKQRGQPIGW-UHFFFAOYSA-N
Mol Weight 422.47 g/mol
Molecular Formula C22H30O8
Exact Mass 422.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GrCJH7Rpkk
Name 2-[2-(2-carbethoxy-3-ethoxy-3-keto-propyl)benzyl]malonic acid diethyl ester
Alternate Name(s) 2-[[2-(3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)phenyl]methyl]propanedioic acid diethyl ester Diethyl 2-[[2-(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)phenyl]methyl]propanedioate Diethyl 2-[[2-(3-ethoxy-2-ethoxycarbonyl-3-oxo-propyl)phenyl]methyl]propanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O8
InChI InChI=1S/C22H30O8/c1-5-27-19(23)17(20(24)28-6-2)13-15-11-9-10-12-16(15)14-18(21(25)29-7-3)22(26)30-8-4/h9-12,17-18H,5-8,13-14H2,1-4H3
InChIKey YLJZSKQRGQPIGW-UHFFFAOYSA-N
Molecular Weight 422.474 g/mol
SMILES C(Cc1c(CC(C(=O)OCC)C(=O)OCC)cccc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0459-0391200000-d379e25fbf14e383a248
Source of Spectrum F-53-8207-8
Wiley ID 802445